5-氟-2-(3-氟苯基)-3-甲基亚磺酰基-1-苯并呋喃的晶体结构
Crystal structure of 5-fluoro-2-(3-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzo-furan.
作者信息
Choi Hong Dae, Lee Uk
机构信息
Department of Chemistry, Dongeui University, San 24 Kaya-dong, Busanjin-gu, Busan 614-714, Republic of Korea.
Department of Chemistry, Pukyong National University, 599-1 Daeyeon 3-dong, Nam-gu, Busan 608-737, Republic of Korea.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 18;70(Pt 11):o1168. doi: 10.1107/S160053681402251X. eCollection 2014 Nov 1.
In the title compound, C15H10F2O2S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.015 (1) Å] and the 3-fluoro-phenyl ring is 26.60 (5)°. In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯F hydrogen bonds, and by π-π inter-actions between the benzo-furan rings of inversion-related mol-ecules [centroid(benzene)-centroid(furan) distance = 3.819 (2) Å], forming a three-dimensional network.
在标题化合物C₁₅H₁₀F₂O₂S中，苯并呋喃环系平面[r.m.s.偏差 = 0.015 (1) Å]与3-氟苯基环之间的二面角为26.60 (5)°。在晶体中，分子通过C—H⋯O和C—H⋯F氢键以及反演相关分子的苯并呋喃环之间的π-π相互作用相连[质心(苯)-质心(呋喃)距离 = 3.819 (2) Å]，形成三维网络。
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